[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate

C14H19N3O6 — CID 59295166

IUPAC[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate
SMILESCC(=O)OC(OC(C)=O)c1cnc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H19N3O6/c1-8(18)21-12(22-9(2)19)10-6-16-11(7-15-10)17-13(20)23-14(3,4)5/h6-7,12H,1-5H3,(H,16,17,20)
InChIKeyRLUUAULAGJZOOJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.95
Rot. Bonds4

About [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate

[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate (PubChem CID 59295166) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate.

Molecular Properties

Compound Name[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate
PubChem CID59295166
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC Name[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate
SMILESCC(=O)OC(OC(C)=O)c1cnc(NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C14H19N3O6/c1-8(18)21-12(22-9(2)19)10-6-16-11(7-15-10)17-13(20)23-14(3,4)5/h6-7,12H,1-5H3,(H,16,17,20)
InChIKeyRLUUAULAGJZOOJ-UHFFFAOYSA-N
XLogP1.95
TPSA116.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[5-(bromomethyl)pyrazin-2-yl]carbamate;ethane
CID 143167789
tert-butyl N-[5-(2-methylsulfanylethyl)pyrazin-2-yl]carbamate
CID 118045562
tert-butyl N-pyrazin-2-ylcarbamate;ethane
CID 153338007
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
tert-butyl N-(1-acetylpyrazolo[3,4-c]pyridin-5-yl)carbamate
CID 76764456
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)pyrazin-2-yl]carbamate
CID 58970574
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate?
The IUPAC name of [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate (CID 59295166) is [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate.
What is the SMILES notation for [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate?
The canonical SMILES for [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate is CC(=O)OC(OC(C)=O)c1cnc(NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate?
The InChIKey is RLUUAULAGJZOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O6/c1-8(18)21-12(22-9(2)19)10-6-16-11(7-15-10)17-13(20)23-14(3,4)5/h6-7,12H,1-5H3,(H,16,17,20).
What are the key properties of [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate?
[acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate has a molecular weight of 325.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]methyl] acetate is sourced from PubChem (CID 59295166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).